action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
SuperCellAction | eb2bf925-0d6a-4b4a-9e6a-7d32a48131b7 | mp-25275 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8Mn4O8Mn4O8Mn4O8
_chemical_formula_sum "Mn16 O32"
_cell_length_a 11.37055484
_cell_length_b 5.68458916
_cell_length_c 11.37103186
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_... |
SuperCellAction | eb8a9c51-4216-4f14-877f-bf14b77d6742 | mp-561499 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14Dy6Cu2Sn2S14
_chemical_formula_sum "Dy12 Cu4 Sn4 S28"
_cell_length_a 9.75637646
_cell_length_b 19.51275292
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group... |
SuperCellAction | e0c4a9b3-4632-4488-b25d-088f50cbdb64 | mp-554765 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12BaSb2F12BaSb2F12BaSb2F12
_chemical_formula_sum "Ba4 Sb8 F48"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 37.58362636
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.5370... |
SuperCellAction | 36373623-b2a3-417d-ac53-a758be078d72 | mp-6268 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40
_chemical_formula_sum "K48 Ti48 P48 O240"
_cell_length_a 12.80478312
_cell_length_b 31.66711239
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 1dbd9843-64f6-407c-b844-7c686b32baf1 | mp-19459 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28K8Mg4V8O28
_chemical_formula_sum "K64 Mg32 V64 O224"
_cell_length_a 8.38034339
_cell_length_b 33.52137356
_cell_length_c 22.66011864
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 299963a6-73c1-4efb-bc23-28e13843b3df | mp-1040196 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural KMg30BO32KMg30BO32KMg30BO32
_chemical_formula_sum "K3 Mg90 B3 O96"
_cell_length_a 25.558842000000002
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 65acdc7d-32a6-4790-8790-34b68a93f702 | mp-1237028 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8K4Ga4P8H8
_chemical_formula_sum "K24 Ga24 P48 H48"
_cell_length_a 15.974796000000001
_cell_length_b 15.95662
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | 02d16f78-6327-4d52-8d50-331725ad290b | mp-781617 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18Li5Mn6B6O18
_chemical_formula_sum "Li40 Mn48 B48 O144"
_cell_length_a 11.885138
_cell_length_b 33.16541152
_cell_length_c 9.06754317
_cell_angle_alpha 112.1900599... |
SuperCellAction | 9a961504-57c4-4a21-8566-89cb2052ddf2 | mp-1104546 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6Co2B6Mo6
_chemical_formula_sum "Co12 B36 Mo36"
_cell_length_a 3.15117013
_cell_length_b 13.49605842
_cell_length_c 21.47699288
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | c8eec746-4732-4a32-90d7-ca01bfea28b9 | mp-1226141 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co12B2P2Co12B2P2Co12B2P2Co12B2P2Co12B2P2Co12B2P2
_chemical_formula_sum "Co72 B12 P12"
_cell_length_a 8.502456
_cell_length_b 19.79461872
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_... |
SuperCellAction | 8835dfc9-fe96-4d9c-90e8-dd3f28aea2ef | mp-675418 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural B3H18N3B3H18N3
_chemical_formula_sum "B6 H36 N6"
_cell_length_a 4.305688
_cell_length_b 8.879912679999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
... |
SuperCellAction | 1fae4bb1-2829-4fef-8291-18a239f9c6f8 | mp-1095216 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Nd2As2O8
_chemical_formula_sum "Nd4 As4 O16"
_cell_length_a 6.84642559
_cell_length_b 13.6928207
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.... |
SuperCellAction | 7d22ba0b-413e-4631-a72c-365771288b4c | mp-567967 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Ga4I16Li4Ga4I16
_chemical_formula_sum "Li8 Ga8 I32"
_cell_length_a 15.1253207
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 4ab489b4-209f-4512-8f05-339119520746 | mp-772952 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32Li8V12Sn4O32
_chemical_formula_sum "Li64 V96 Sn32 O256"
_cell_length_a 8.510521
_cell_length_b 34.042084
_cell_length_c 17.021042
_cell_angle_alpha 90.0
_c... |
SuperCellAction | e6750961-3af6-4448-9dcd-85684008b63b | mp-1196284 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10U6Al38Ni10U6Al38Ni10U6Al38Ni10U6Al38Ni10U6Al38Ni10U6Al38Ni10U6Al38Ni10
_chemical_formula_sum "U48 Al304 Ni80"
_cell_length_a 8.18645193
_cell_length_b 32.74580772
_cell_length_c 53.723978
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | eb2d0364-9d38-4b7a-ab3e-67d51b024250 | mp-1041629 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Mg4Co8O16Mg4Co8O16Mg4Co8O16Mg4Co8O16
_chemical_formula_sum "Mg16 Co32 O64"
_cell_length_a 11.717976
_cell_length_b 9.617007
_cell_length_c 9.669462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 47795410-b3f7-498a-a264-cdea9cb8e05a | mp-766533 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28Li12Cr3FeP4C4O28Li12Cr3FeP4C4O28Li12Cr3FeP4C4O28Li12Cr3FeP4C4O28Li12Cr3FeP4C4O28
_chemical_formula_sum "Li72 Cr18 Fe6 P24 C24 O168"
_cell_length_a 19.411212
_cell_length_b 17.300628
_cell_length_c 10.02797152
_cell_angle_alpha... |
SuperCellAction | ed4d18c3-6fbd-4643-871a-b682bf5604b6 | mp-1214689 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8Ce8In24Pt8
_chemical_formula_sum "Ce64 In192 Pt64"
_cell_length_a 39.35051352
_cell_length_b 9.83762838
_cell_length_c 19.67525676
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | 9a284307-fe93-4d8d-b071-fecaa58a3767 | mp-764443 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16Li4Mn3Fe3W2O16Li4Mn3Fe3W2O16Li4Mn3Fe3W2O16
_chemical_formula_sum "Li16 Mn12 Fe12 W8 O64"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 39.48972948000001
_cell_angle_alpha 88.54895862
_cell_angle_beta ... |
SuperCellAction | e97595ae-5f9e-4717-97c8-ccdbaab7af25 | mp-5794 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8Zn2Ga4O8Zn2Ga4O8Zn2Ga4O8
_chemical_formula_sum "Zn8 Ga16 O32"
_cell_length_a 11.79790448
_cell_length_b 5.898952539999999
_cell_length_c 11.79790422
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_... |
SuperCellAction | 10466c10-8d15-4bca-af70-3623aa12f20b | mp-1196179 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32
_chemical_formula_sum "Tm128 Cr64 S256"
_cell_length_a 14.821834
_cell_length_b 12.50779
_cell_length_c 49.535948
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 6df594a4-1810-49e9-b40b-48abef035172 | mp-779351 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4MnP6H8O22Li4MnP6H8O22Li4MnP6H8O22Li4MnP6H8O22
_chemical_formula_sum "Li16 Mn4 P24 H32 O88"
_cell_length_a 7.011207
_cell_length_b 29.97377288
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell... |
SuperCellAction | cb958cc5-8333-451b-8649-baa84e17e9d6 | mp-1518110 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6SrEuYCoO6SrEuYCoO6SrEuYCoO6SrEuYCoO6SrEuYCoO6SrEuYCoO6SrEuYCoO6
_chemical_formula_sum "Sr8 Eu8 Y8 Co8 O48"
_cell_length_a 11.40171428
_cell_length_b 5.70085714
_cell_length_c 22.803428559999997
_cell_angle_alpha 59.99999999999999
... |
SuperCellAction | 590bf062-1f3a-4db7-9276-63c0b51a959c | mp-1213985 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2Al2Si2O10Ca2Al2Si2O10Ca2Al2Si2O10Ca2Al2Si2O10Ca2Al2Si2O10Ca2Al2Si2O10
_chemical_formula_sum "Ca12 Al12 Si12 O60"
_cell_length_a 16.210459829999998
_cell_length_b 5.40348661
_cell_length_c 14.060509660000001
_cell_angle_alpha 76.93014101... |
SuperCellAction | 0a9e8eb4-74fd-4ed8-b0d9-e72c70f498f9 | mp-1235973 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12
_chemical_formula_sum "Li4 Y16 Ag16 O48"
_cell_length_a 12.35401966
_cell_length_b 14.418229260000002
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72... |
SuperCellAction | bcbcc151-5261-4fb1-9bea-f247c57728bc | mp-640163 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co8W16C4Co8W16C4Co8W16C4Co8W16C4Co8W16C4Co8W16C4
_chemical_formula_sum "Co48 W96 C24"
_cell_length_a 8.01283788
_cell_length_b 16.02567576
_cell_length_c 24.038513639999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999... |
SuperCellAction | 49210762-6c42-46fb-9ffc-d948e39fe64c | mp-1101169 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y6Al2O12Y6Al2O12Y6Al2O12
_chemical_formula_sum "Y18 Al6 O36"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 19.376138700000002
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 9... |
SuperCellAction | 1d3566dd-00f7-40b7-b98e-97656ce6fa5f | mp-2230416 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe6O10F2MgFe6O10F2
_chemical_formula_sum "Mg2 Fe12 O20 F4"
_cell_length_a 7.94805205
_cell_length_b 11.407038580000002
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66... |
SuperCellAction | 210a3b9b-8e26-4026-9b28-959d5eb7b46f | mp-1096906 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32Cr16N32Cr16N32Cr16N32
_chemical_formula_sum "Cr64 N128"
_cell_length_a 8.26778468
_cell_length_b 50.07158632000001
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.630... |
SuperCellAction | b0546c19-579e-406e-af68-3a2566ae65cc | mp-11726 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18
_chemical_formula_sum "La8 Si32 Ni72"
_cell_length_a 7.9671485
_cell_length_b 31.868594
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_ga... |
SuperCellAction | 1df0a6aa-9f52-4d0a-8c03-ea4cd93ac715 | mp-2222843 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6KMgNiIO6KMgNiIO6KMgNiIO6
_chemical_formula_sum "K4 Mg4 Ni4 I4 O24"
_cell_length_a 5.243893
_cell_length_b 20.97557108
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
... |
SuperCellAction | 65ac274a-4166-444d-a2e0-0b8fe259af61 | mp-557340 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge9Pb15O33Ge9Pb15O33Ge9Pb15O33Ge9Pb15O33
_chemical_formula_sum "Ge36 Pb60 O132"
_cell_length_a 20.87134116
_cell_length_b 20.87134116
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000003... |
SuperCellAction | de9eec7c-f018-48cc-bb66-3508e1318362 | mp-1181012 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li16Re24S44Li16Re24S44Li16Re24S44Li16Re24S44Li16Re24S44Li16Re24S44Li16Re24S44Li16Re24S44
_chemical_formula_sum "Li128 Re192 S352"
_cell_length_a 38.64053528
_cell_length_b 23.9762151
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_... |
SuperCellAction | 47f4cff3-5f9c-4de5-9c3c-09e868140521 | mp-1026568 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsMg14SbCsMg14SbCsMg14SbCsMg14SbCsMg14SbCsMg14SbCsMg14SbCsMg14Sb
_chemical_formula_sum "Cs8 Mg112 Sb8"
_cell_length_a 13.0268798
_cell_length_b 6.51343935
_cell_length_c 44.49330956
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 97fb87fe-a8ec-48ae-a492-77e94db85abf | mp-1216955 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4SiNi7U4SiNi7U4SiNi7
_chemical_formula_sum "U12 Si3 Ni21"
_cell_length_a 5.07496906
_cell_length_b 15.222836999999997
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_spa... |
SuperCellAction | d1dd182b-ed7d-4bbd-b46c-d01389de79a8 | mp-753310 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8Li2Cr3CuO8
_chemical_formula_sum "Li16 Cr24 Cu8 O64"
_cell_length_a 23.63474684
_cell_length_b 11.81737342
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_... |
SuperCellAction | f358d76a-40b3-421e-a415-30682f55a62d | mp-1193845 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16Ho6Al7Cu16
_chemical_formula_sum "Ho48 Al56 Cu128"
_cell_length_a 17.41031246
_cell_length_b 8.70515623
_cell_length_c 34.82062492
_cell_angle_alpha 59.99999999999999
_c... |
SuperCellAction | 07bb7997-3483-4424-94e0-76704679a733 | mp-1176021 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li27 Mn6 Co15 O48"
_cell_length_a 5.113301
_cell_length_b 17.64350559
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma ... |
SuperCellAction | 38354964-32f6-4795-8402-8002198fb98d | mp-1205633 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs3FeF6Cs3FeF6Cs3FeF6Cs3FeF6Cs3FeF6Cs3FeF6Cs3FeF6Cs3FeF6
_chemical_formula_sum "Cs24 Fe8 F48"
_cell_length_a 13.85599062
_cell_length_b 13.85599062
_cell_length_c 13.85599062
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026... |
SuperCellAction | a07cd07f-cc26-446d-8037-1d87228eaff0 | mp-1293179 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li8Co6Ni2O16Li8Co6Ni2O16Li8Co6Ni2O16
_chemical_formula_sum "Li24 Co18 Ni6 O48"
_cell_length_a 5.82200013
_cell_length_b 30.691128420000002
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cel... |
SuperCellAction | da9f1b67-c797-4840-b15a-93679bcadc23 | mp-1227709 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O24Bi2P6Pb6O24
_chemical_formula_sum "Bi4 P12 Pb12 O48"
_cell_length_a 9.16329836
_cell_length_b 18.326596719999998
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_ga... |
SuperCellAction | e4ba3a71-7b0e-439f-a1db-4fc9b8792675 | mp-1520366 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12Ba2Sr2Nb2Sb2O12Ba2Sr2Nb2Sb2O12Ba2Sr2Nb2Sb2O12Ba2Sr2Nb2Sb2O12Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba12 Sr12 Nb12 Sb12 O72"
_cell_length_a 6.0076562
_cell_length_b 17.97163527
_cell_length_c 16.97122484
_cell_angle_alpha 90.... |
SuperCellAction | 7422cb01-f5c0-4886-a75d-3c7383b12b29 | mp-1199158 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20Tm22Sn20
_chemical_formula_sum "Tm176 Sn160"
_cell_length_a 22.90961414
_cell_length_b 45.8191974
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta ... |
SuperCellAction | 26c9e809-2b31-461c-a92f-dcfcc0ef0d2c | mp-3380 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural La4Rh4C8La4Rh4C8
_chemical_formula_sum "La8 Rh8 C16"
_cell_length_a 3.991291
_cell_length_b 7.982582
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SuperCellAction | 212da6ff-e00d-4d43-b3d3-f9df1b51b370 | mp-704542 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40Ge4W8C40Br8O40
_chemical_formula_sum "Ge32 W64 C320 Br64 O320"
_cell_length_a 53.276516
_cell_length_b 19.333262
_cell_length_c 15.43103654
_cel... |
SuperCellAction | 333e16f3-ee56-4352-a3a1-0e5304ba75f5 | mp-1201283 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re4C4N4Cl12O8Re4C4N4Cl12O8
_chemical_formula_sum "Re8 C8 N8 Cl24 O16"
_cell_length_a 9.34169111
_cell_length_b 18.68338222
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.797... |
SuperCellAction | d7513067-8be0-43b2-8b6e-de48dd53a8b1 | mp-1111088 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6Na2AlAuF6
_chemical_formula_sum "Na16 Al8 Au8 F48"
_cell_length_a 12.02067386
_cell_length_b 24.04134772
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_an... |
SuperCellAction | 6c662870-5af6-42ad-a012-d3580b04429b | mp-779589 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na12Sb20O56Na12Sb20O56Na12Sb20O56
_chemical_formula_sum "Na36 Sb60 O168"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 72.100209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | ff0aeb88-4469-46e2-b6d9-2fd0edde50aa | mp-1228545 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba16 Sr16 Y16 Cu48 O104"
_cell_length_a 49.60364984
_cell_length_b 24.74549482
_cell_length_c 5.46917834
_... |
SuperCellAction | c9077c09-60f0-4263-9e4c-8fae3c54713c | mp-760360 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6Hf6N4O6Hf6N4O6Hf6N4O6
_chemical_formula_sum "Hf24 N16 O24"
_cell_length_a 11.35967402
_cell_length_b 5.67983701
_cell_length_c 21.471954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_... |
SuperCellAction | 749fc73a-e229-4339-b35f-3fde69b86083 | mp-1220828 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8Nb16Pb12O48F8Nb16Pb12O48F8Nb16Pb12O48F8
_chemical_formula_sum "Nb64 Pb48 O192 F32"
_cell_length_a 12.91869857
_cell_length_b 51.67479428
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 1601c9eb-5ff4-42ae-a068-6a5bf8701458 | mp-1078810 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4Sc4Sn2Au4
_chemical_formula_sum "Sc24 Sn12 Au24"
_cell_length_a 7.58665667
_cell_length_b 15.17331334
_cell_length_c 10.64817126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 27d9a32b-b317-4eaf-89ce-084f2f9c1323 | mp-1523308 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba16 Sr16 Gd16 Sb16 O96"
_cell_length_a 33.9485458
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 87170f1f-92f8-47f1-a89b-b5507e1a9930 | mp-1191291 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6Hg4S2Br8N4O6
_chemical_formula_sum "Hg32 S16 Br64 N32 O48"
_cell_length_a 7.289171
_cell_length_b 41.562404
_cell_length_c 22.6214731
_cell_angle_alpha 83.... |
SuperCellAction | aac6f620-3a96-48f8-9edc-4e6ba1aec821 | mp-1101787 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10La2Si10La2Si10La2Si10
_chemical_formula_sum "La8 Si40"
_cell_length_a 15.605711
_cell_length_b 7.8028555
_cell_length_c 16.869175300000002
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma ... |
SuperCellAction | e4ced13e-c4ff-43ca-8124-05156d331760 | mp-754097 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16Li8Fe4B4O16Li8Fe4B4O16Li8Fe4B4O16
_chemical_formula_sum "Li32 Fe16 B16 O64"
_cell_length_a 5.03732664
_cell_length_b 20.14598188
_cell_length_c 12.344902
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell... |
SuperCellAction | 96affdfe-a82f-4357-a53c-b9d16a141ca6 | mp-1105260 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2Tb8In2Ge8Rh2
_chemical_formula_sum "Tb48 In12 Ge48 Rh12"
_cell_length_a 31.332024929999996
_cell_length_b 20.888016619999995
_cell_length_c 10.37373357
_cell_angle_alpha 75.299957... |
SuperCellAction | 8b43dec0-7b4a-4ae0-a9a1-0cda2b2717bf | mp-1192752 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural La2Cl6O14La2Cl6O14La2Cl6O14La2Cl6O14
_chemical_formula_sum "La8 Cl24 O56"
_cell_length_a 15.11986306
_cell_length_b 7.38760346
_cell_length_c 16.418008539999995
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_ang... |
SuperCellAction | 3f8e1c4f-9a94-4617-b9c6-cf80cdf75a3a | mp-1207428 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4Zr4Ni4As4
_chemical_formula_sum "Zr16 Ni16 As16"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 29.14437856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | c2aa1b57-ebeb-4eb4-82a4-1c93d073033a | mp-600078 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Si18O36Si18O36Si18O36Si18O36Si18O36
_chemical_formula_sum "Si108 O216"
_cell_length_a 21.778225
_cell_length_b 43.55645
_cell_length_c 65.33467499999999
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772
_cell_an... |
SuperCellAction | f7d81670-119e-47a2-adf5-5c48669e92e4 | mp-1175936 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li54 Mn12 Co30 O96"
_cell_length_a 10.199812
_cell_length_b 15.38693538
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_an... |
SuperCellAction | 55c9b6ad-4b44-4460-92f4-465a1fda85b5 | mp-779298 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3Mn8O13F3
_chemical_formula_sum "Mn64 O104 F24"
_cell_length_a 8.991222
_cell_length_b 9.94282802
_cell_length_c 22.108203
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.7... |
SuperCellAction | 9a4babf0-1778-4c29-83e6-6765d111be6c | mp-1201935 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28
_chemical_formula_sum "K64 P64 H128 O224"
_cell_length_a 31.347556
_cell_length_b 10.18344283
_cell_length_c 20.75316936
_cell_angle_alpha 93.40981959000001
_... |
SuperCellAction | 53dded71-2a96-42dc-bb69-7bf7599b3e53 | mp-1226365 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10Cs2Cu3NiF10
_chemical_formula_sum "Cs12 Cu18 Ni6 F60"
_cell_length_a 20.58572001
_cell_length_b 6.794607259999999
_cell_length_c 14.464812040000002
_cell_angle_alpha 62.46383703
_cell_... |
SuperCellAction | f1176010-d81e-4039-a512-eaa483062681 | mp-2309 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm8S12Tm8S12Tm8S12Tm8S12
_chemical_formula_sum "Tm32 S48"
_cell_length_a 7.7413334
_cell_length_b 21.72216152
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 930d6967-f95a-4a9b-8a06-28c8368d8b44 | mp-2232505 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8Ba2YMgFe3O8
_chemical_formula_sum "Ba16 Y8 Mg8 Fe24 O64"
_cell_length_a 7.97946252
_cell_length_b 7.97945356
_cell_length_c 30.36280262
_cell_angle_alpha 90.0
_ce... |
SuperCellAction | 4fc8a773-b208-42d1-9e9b-4367dd686fbc | mp-759828 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20Li2Mn2V2P4H4O20
_chemical_formula_sum "Li12 Mn12 V12 P24 H24 O120"
_cell_length_a 15.732911999999999
_cell_length_b 14.703522059999997
_cell_length_c 10.12545201
_cell... |
SuperCellAction | 3c7f4153-2dd7-4a75-8f5e-23ebf49a5550 | mp-684003 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36Ti18Fe4B16Ru36
_chemical_formula_sum "Ti144 Fe32 B128 Ru288"
_cell_length_a 17.595783
_cell_length_b 70.383132
_cell_length_c 5.993984
_cell_ang... |
SuperCellAction | 6e4e4106-900c-4efb-a038-f1385082831b | mp-1245147 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Cr16Fe16O48Cr16Fe16O48Cr16Fe16O48
_chemical_formula_sum "Cr64 Fe64 O192"
_cell_length_a 40.0850432
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
... |
SuperCellAction | d757cb9c-2034-43ed-be41-08e221e9d465 | mp-532538 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb80 Nd16 Hf16 Mo96 O384"
_cell_length_a 14.7497935
_cell_length_b 29.499587
_cell_lengt... |
SuperCellAction | 98bfeb6a-4dfd-4c73-bb34-dbac01f69d16 | mp-1044867 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi12O24Bi12O24Bi12O24
_chemical_formula_sum "Bi36 O72"
_cell_length_a 21.59884293
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.8370048299... |
SuperCellAction | 547ca5fa-e75e-4d09-a3c5-30aaf7ff14c5 | mp-1233685 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural MgCo4P8O28MgCo4P8O28
_chemical_formula_sum "Mg2 Co8 P16 O56"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 19.13670886
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.799343859999... |
SuperCellAction | 98b556a9-d74b-4ff1-a7bf-e1702b0e36e3 | mp-1258846 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn4Zn6Si8O28Mn4Zn6Si8O28Mn4Zn6Si8O28Mn4Zn6Si8O28Mn4Zn6Si8O28Mn4Zn6Si8O28
_chemical_formula_sum "Mn24 Zn36 Si48 O168"
_cell_length_a 18.4207586
_cell_length_b 27.631137900000002
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029681... |
SuperCellAction | 26855637-548d-4379-b39f-852b3ca70a19 | mp-1225140 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H14C6N2O12Fe2H14C6N2O12Fe2H14C6N2O12
_chemical_formula_sum "Fe6 H42 C18 N6 O36"
_cell_length_a 7.3093874
_cell_length_b 22.34999367
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamm... |
SuperCellAction | 6631df2b-4bb8-4083-a4d4-52ccb53ee304 | mp-1026930 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4
_chemical_formula_sum "Te16 Mo8 W24 Se16 S32"
_cell_length_a 13.2334372
_cell_length_b 6.6167186000000004
_cell_length_c 37.684738
_cell_angle_al... |
SuperCellAction | 01bd2d3c-9329-43c7-888c-c10721fa111c | mp-756031 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12Li4Co4O2F12
_chemical_formula_sum "Li16 Co16 O8 F48"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 33.49461444
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_a... |
SuperCellAction | 2b2842e8-d59e-44c0-aafd-5025ce494335 | mp-9619 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12ThFe4P12ThFe4P12ThFe4P12
_chemical_formula_sum "Th4 Fe16 P48"
_cell_length_a 13.46298474
_cell_length_b 6.73149087
_cell_length_c 13.46298488
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109... |
SuperCellAction | 6dd914c9-8705-498e-b0eb-474abb5de190 | mp-2228606 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2LaMgCu3O7Ba2LaMgCu3O7Ba2LaMgCu3O7Ba2LaMgCu3O7
_chemical_formula_sum "Ba8 La4 Mg4 Cu12 O28"
_cell_length_a 15.1801622
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 94ee4962-090e-46ea-891e-5862b2cf0d9f | mp-1223453 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3
_chemical_formula_sum "La12 Ga30 Au18"
_cell_length_a 13.438938
_cell_length_b 4.479646
_cell_length_c 21.930014
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 609f70f0-21f5-4e0f-af46-5826ab22b565 | mp-624221 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10
_chemical_formula_sum "Ge48 Rh80"
_cell_length_a 7.89801924
_cell_length_b 21.94602712
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 24b10b1b-5b7c-4f7c-bf84-6c263fe1ae84 | mp-771174 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20Ba8B8O20
_chemical_formula_sum "Ba64 B64 O160"
_cell_length_a 17.53054188
_cell_length_b 10.36685935
_cell_length_c 25.67697926
_cell_angle_alpha 77.91397472999999
_cell_angle_beta ... |
SuperCellAction | d57aa5d2-1e92-4e0c-b92b-a5b6e261d3cb | mp-1214515 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30Ba12Tm4Al8O30
_chemical_formula_sum "Ba96 Tm32 Al64 O240"
_cell_length_a 5.929251
_cell_length_b 15.828698
_cell_length_c 73.75738632
_cell_angle_alpha... |
SuperCellAction | 3d19f9d2-e7ed-43a0-b9a7-415437c025fd | mp-27271 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28Tl16Ge10O28
_chemical_formula_sum "Tl96 Ge60 O168"
_cell_length_a 14.56087425
_cell_length_b 29.121748499999995
_cell_length_c 43.682623740000004
_cell_angle_alpha 38.392804010000006
_... |
SuperCellAction | 1b6dd92b-2096-4ca4-b045-4b8602c5f26f | mp-1079670 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural TmSbPb2O6TmSbPb2O6TmSbPb2O6TmSbPb2O6TmSbPb2O6TmSbPb2O6
_chemical_formula_sum "Tm6 Sb6 Pb12 O36"
_cell_length_a 11.7316409
_cell_length_b 17.59746135
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta ... |
SuperCellAction | b268dca1-81ed-43ed-b66b-a80f16ab2ab7 | mp-753525 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural V4O4F12V4O4F12V4O4F12V4O4F12V4O4F12V4O4F12V4O4F12V4O4F12
_chemical_formula_sum "V32 O32 F96"
_cell_length_a 10.71958
_cell_length_b 21.43916
_cell_length_c 9.21233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | b7b16de8-c4ad-475a-b6d1-d4bab31635b5 | mp-753610 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8Ba2Ca2I8
_chemical_formula_sum "Ba8 Ca8 I32"
_cell_length_a 11.45684617
_cell_length_b 22.91369234
_cell_length_c 16.601574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_... |
SuperCellAction | 21cf708b-4d5b-455c-ab68-90b24499d5d3 | mp-30276 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8Ce20Ga10Cl8
_chemical_formula_sum "Ce80 Ga40 Cl32"
_cell_length_a 33.15534574
_cell_length_b 33.15534574000001
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_ce... |
SuperCellAction | 31cbcb7c-c44f-4009-a4b7-3e412a1bc99d | mp-887412 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48
_chemical_formula_sum "Li72 Mn12 V36 P72 O288"
_cell_length_a 8.7929821
_cell_length_b 26.3789463
_cell_length_c 28.98860044
_cell_angle_alpha 73.87... |
SuperCellAction | e740c05d-5706-4ed3-85df-fc01051383bc | mp-6268 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40K8Ti8P8O40
_chemical_formula_sum "K64 Ti64 P64 O320"
_cell_length_a 12.80478312
_cell_length_b 42.22281652
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | 43b92dab-6f8d-47f8-88c6-5ebd6a77dbcd | mp-756993 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14Li4Co2P4O14
_chemical_formula_sum "Li24 Co12 P24 O84"
_cell_length_a 10.07521804
_cell_length_b 7.68650501
_cell_length_c 23.056659120000006
_cell_angle_alpha 90.00303369
_cell_angle_b... |
SuperCellAction | a906bad5-4897-4add-ae2e-31c0b028bd08 | mp-1074681 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4Mg8Si4
_chemical_formula_sum "Mg64 Si32"
_cell_length_a 11.86472
_cell_length_b 11.93095196
_cell_length_c 16.01864918
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angl... |
SuperCellAction | 4f01801e-b27d-4467-8585-3d4f1e8aabf4 | mp-1329603 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... | data_image0
_chemical_formula_structural Co25Ru5O40Co25Ru5O40Co25Ru5O40Co25Ru5O40Co25Ru5O40Co25Ru5O40
_chemical_formula_sum "Co150 Ru30 O240"
_cell_length_a 17.919345
_cell_length_b 12.07351054
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89... |
SuperCellAction | 7588c3ac-b930-48ea-9bf1-9a414194eef2 | mp-1214345 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10Ba2Si24Pt10Ba2Si24Pt10Ba2Si24Pt10
_chemical_formula_sum "Ba8 Si96 Pt40"
_cell_length_a 33.17067602
_cell_length_b 16.58533801
_cell_length_c 12.242549780000001
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell... |
SuperCellAction | 82a501e8-432a-4e77-9dcf-bde64fbb5c6d | mp-1195020 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24
_chemical_formula_sum "Pr16 Tl16 P32 Se96"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 50.145736
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | d6492587-c814-459f-9c2a-ff80c56225b8 | mp-4068 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Ge4S12Na8Ge4S12Na8Ge4S12
_chemical_formula_sum "Na24 Ge12 S36"
_cell_length_a 45.969183449999996
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 08a59094-0f10-4708-92cb-06278df7f8ae | mp-17827 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14Nd6Si2Ag2Se14Nd6Si2Ag2Se14Nd6Si2Ag2Se14Nd6Si2Ag2Se14Nd6Si2Ag2Se14
_chemical_formula_sum "Nd36 Si12 Ag12 Se84"
_cell_length_a 10.7664337
_cell_length_b 21.5328674
_cell_length_c 18.226584000000003
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 23279616-dbd5-4b06-a1c0-d739e6deb30f | mp-772788 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba8Cu8O20Ba8Cu8O20Ba8Cu8O20Ba8Cu8O20
_chemical_formula_sum "Ba32 Cu32 O80"
_cell_length_a 8.29085002
_cell_length_b 10.68465801
_cell_length_c 27.93992102
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SuperCellAction | fd1c2f05-2be0-4ece-bf5c-e8069f1dc1cd | mp-1104069 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Y2Ni8As4
_chemical_formula_sum "Y2 Ni8 As4"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Y2Ni8As4Y2Ni8As4Y2Ni8As4Y2Ni8As4
_chemical_formula_sum "Y8 Ni32 As16"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 14.95796188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | a75ca1d3-1510-4135-bc76-3892887ff4dd | mp-1211390 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Te7As6
_chemical_formula_sum "Te7 As6"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te7As6Te7As6Te7As6Te7As6Te7As6Te7As6
_chemical_formula_sum "Te42 As36"
_cell_length_a 14.03875547
_cell_length_b 26.55377066
_cell_length_c 312.53617749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.917093859999... |
SuperCellAction | 432b76e2-52bd-4734-bd5f-d19a78ee1848 | mp-1026902 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuBMg14CuBMg14CuBMg14CuB
_chemical_formula_sum "Mg56 Cu4 B4"
_cell_length_a 12.43860654
_cell_length_b 12.546541440000002
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_sp... |
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